1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride

C4H10ClN3 — CID 22557527

IUPAC1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride
SMILESCl.NC1=NCCCN1
InChIInChI=1S/C4H9N3.ClH/c5-4-6-2-1-3-7-4;/h1-3H2,(H3,5,6,7);1H
InChIKeyGRHGTRIHFULSAY-UHFFFAOYSA-N
MW135.60 g/mol
LogP-0.28
Rot. Bonds

About 1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride

1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride (PubChem CID 22557527) has the molecular formula C4H10ClN3 and a molecular weight of 135.60 g/mol. Its IUPAC name is 1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound Name1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride
PubChem CID22557527
Molecular FormulaC4H10ClN3
Molecular Weight135.60 g/mol
Exact Mass135.06
IUPAC Name1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride
SMILESCl.NC1=NCCCN1
InChIInChI=1S/C4H9N3.ClH/c5-4-6-2-1-3-7-4;/h1-3H2,(H3,5,6,7);1H
InChIKeyGRHGTRIHFULSAY-UHFFFAOYSA-N
XLogP-0.28
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.60
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4,5,6-Tetrahydropyrimidine
CID 137105
1,4,5,6-Tetrahydropyrimidin-2-amine
CID 3287412
1,4,5,6-Tetrahydropyrimidine hydrochloride
CID 21645510
Biguanide, 1-propyl-, monohydrochloride
CID 9570361
5-Methyl-1,4,5,6-tetrahydropyrimidin-2-amine hydrochloride
CID 17851080
4-Methyl-1,4,5,6-tetrahydropyrimidin-2-amine hydrochloride
CID 23132630
4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine
CID 213369
1,4,5,6-Tetrahydropyrimidine hydriodide
CID 129795576
2-Amino-1,4,5,6-tetrahydropyrimidinium chloride
CID 169502611
1-(3-Aminopropyl)-3-(diaminomethylidene)guanidine
CID 176548205
5,5-Dimethyl-1,4,5,6-tetrahydropyrimidin-2-amine
CID 12052711
5-Methyl-1,4,5,6-tetrahydropyrimidin-2-amine
CID 12052714

Frequently Asked Questions

What is the IUPAC name of 1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride?
The IUPAC name of 1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride (CID 22557527) is 1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride.
What is the SMILES notation for 1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride?
The canonical SMILES for 1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride is Cl.NC1=NCCCN1.
What is the InChIKey of 1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride?
The InChIKey is GRHGTRIHFULSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3.ClH/c5-4-6-2-1-3-7-4;/h1-3H2,(H3,5,6,7);1H.
What are the key properties of 1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride?
1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride has a molecular weight of 135.60 g/mol, XLogP of -0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 22557527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).